4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one

C24H25FN4O4S — CID 57468389

IUPAC4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)c(F)c1
InChIInChI=1S/C24H25FN4O4S/c1-34(31,32)20-4-5-22(21(25)13-20)29-11-8-19(12-23(29)30)33-18-6-9-28(10-7-18)24-26-14-17(15-27-24)16-2-3-16/h4-5,8,11-16,18H,2-3,6-7,9-10H2,1H3
InChIKeyMCNGQRRVCYIVSB-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.10
Rot. Bonds6

About 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one

4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one (PubChem CID 57468389) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one
PubChem CID57468389
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC Name4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)c(F)c1
InChIInChI=1S/C24H25FN4O4S/c1-34(31,32)20-4-5-22(21(25)13-20)29-11-8-19(12-23(29)30)33-18-6-9-28(10-7-18)24-26-14-17(15-27-24)16-2-3-16/h4-5,8,11-16,18H,2-3,6-7,9-10H2,1H3
InChIKeyMCNGQRRVCYIVSB-UHFFFAOYSA-N
XLogP3.10
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one?
The IUPAC name of 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one (CID 57468389) is 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one.
What is the SMILES notation for 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one?
The canonical SMILES for 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one is CS(=O)(=O)c1ccc(-n2ccc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)c(F)c1.
What is the InChIKey of 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one?
The InChIKey is MCNGQRRVCYIVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c1-34(31,32)20-4-5-22(21(25)13-20)29-11-8-19(12-23(29)30)33-18-6-9-28(10-7-18)24-26-14-17(15-27-24)16-2-3-16/h4-5,8,11-16,18H,2-3,6-7,9-10H2,1H3.
What are the key properties of 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one?
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one has a molecular weight of 484.55 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one is sourced from PubChem (CID 57468389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).